methyl 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoate

C9H14F3NO3 — CID 55028937

IUPACmethyl 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)CC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-13(5-3-4-8(15)16-2)7(14)6-9(10,11)12/h3-6H2,1-2H3
InChIKeyAHAMSCGROXYCMV-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.35
Rot. Bonds5

About methyl 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoate

methyl 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoate (PubChem CID 55028937) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is methyl 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoate
PubChem CID55028937
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Namemethyl 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)CC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-13(5-3-4-8(15)16-2)7(14)6-9(10,11)12/h3-6H2,1-2H3
InChIKeyAHAMSCGROXYCMV-UHFFFAOYSA-N
XLogP1.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoate (CID 55028937) is methyl 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoate is COC(=O)CCCN(C)C(=O)CC(F)(F)F.
What is the InChIKey of methyl 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoate?
The InChIKey is AHAMSCGROXYCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-13(5-3-4-8(15)16-2)7(14)6-9(10,11)12/h3-6H2,1-2H3.
What are the key properties of methyl 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoate?
methyl 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoate has a molecular weight of 241.21 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoate is sourced from PubChem (CID 55028937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).